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175136-91-1 | 4-(2-THIENYLMETHYL)-1LAMBDA6,4-THIAZINANE-1,1-DIONE
CAS No: 175136-91-1 Catalog No: AG00APTK MDL No:MFCD00085166
Product Description
Catalog Number:
AG00APTK
Chemical Name:
4-(2-THIENYLMETHYL)-1LAMBDA6,4-THIAZINANE-1,1-DIONE
CAS Number:
175136-91-1
Molecular Formula:
C9H13NO2S2
Molecular Weight:
231.3350
MDL Number:
MFCD00085166
IUPAC Name:
4-(thiophen-2-ylmethyl)-1,4-thiazinane 1,1-dioxide
InChI:
InChI=1S/C9H13NO2S2/c11-14(12)6-3-10(4-7-14)8-9-2-1-5-13-9/h1-2,5H,3-4,6-8H2
InChI Key:
ZPGDTPOQUVGNBP-UHFFFAOYSA-N
SMILES:
O=S1(=O)CCN(CC1)Cc1cccs1
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.039g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.328g/mol
Monoisotopic Mass:
231.039g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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